SCHEMBL23279682

SCHEMBL23279682

CSc1cc(Cc2cc(C(=O)NCc3ccc4c(N)nccc4c3)ccn2)cc2cc(F)cnc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 20/20 0.61
▸ MAP4K1 Q92918 10/20 0.61
▸ KLK1 P06870 10/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23279769 0.93 KLKB1 (0.64) KLKB1MAP4K1KLK1
SCHEMBL17442703 0.87 KLKB1 (0.66) KLKB1MAP4K1KLK1
SCHEMBL16880835 0.87 KLKB1 (0.63) KLKB1MAP4K1KLK1
SCHEMBL23279798 0.86 KLKB1 (0.62) KLKB1MAP4K1KLK1
SCHEMBL17442648 0.86 KLKB1 (0.61) KLKB1MAP4K1KLK1
SCHEMBL23279806 0.85 KLKB1 (0.62) KLKB1MAP4K1KLK1
SCHEMBL23279765 0.85 KLKB1 (0.61) KLKB1MAP4K1KLK1
SCHEMBL16881213 0.84 KLKB1 (0.83) KLKB1MAP4K1KLK1
SCHEMBL23279665 0.83 KLKB1 (0.52) KLKB1MAP4K1
SCHEMBL23279685 0.82 KLKB1 (0.63) KLKB1MAP4K1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 — — EP disclosed
Send feedback